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Charge Delocalization in the Special-Pair Radical Cation of Mutant Reaction Centers of Rhodobacter Sphaeroides from Stark Spectra and Nonadiabatic Spectral Simulations
Rhodobacter sphaeroides Cations Spectrophotometry Spectroscopy, Fourier Transform Infrared Mutagenesis,Site-Directed Absorption Dimerization Oxidation-Reduction Mutation Electrochemistry
2016/5/24
Stark and absorption spectra for the hole-transfer band of the bacteriochlorophyll special pair in the wild-type and L131LH, M160LH, and L131LH/M160LH mutants of the bacterial reaction center of Rhodo...
Electrochromism in the Near-Infrared Absorption Spectra of Bridged Ruthenium Mixed-Valence Complexes
inorganic, organic, physical and analytical chemistry ruthenium complexes absorption spectra electrochromism electric fields experimental data low temperature measuring methods near infrared radiation complexes
2016/5/23
Many experimental and theoretical approaches have been developed to characterize the chemical and physical properties of mixed-valence complexes. These molecules may possess metals in differing oxidat...
Stark Effect Spectra of Ru(Diimine)32+ Complexes
ANTIDEPRESSANTS MONOAMINE OXIDASE INHIBITORS TYRAMINE
2016/5/20
The metal-to-ligand charge-transfer (MLCT) states of Ru- (diimine)32+and related complexes have been the subject of intense interest over the past 20 years in an effort to understand and potentially t...
"The Effect of Magnesium Coordination on the 13C and 15N Magnetic Resonance Spectra of Chlorophyll a.The Relative Energies of Nitrogen np States as Deduced from a Complete Assignment of Chemical Shifts"
Magnesium Coordination 13C and 15N Magnetic Resonance Spectra Nitrogen np States Complete Assignment Chemical Shifts
2016/5/20
The 5 5 13Cand 4 I5Nnmr transitions in chlorophyll a and its magnesium-free derivative pheophytin a have been assigned. Emphasis is placed on the quaternary carbon atoms of the macrocycle which carry ...
Coherent quantum transport in disordered systems: I. The influence of dephasing on the transport properties and absorption spectra on one-dimensional systems
quantum transport in disordered systems dephasing on the transport properties absorption spectra one-dimensional systems
2014/9/24
Excitonic transport in static-disordered one dimensional systems is studied in the presence of thermal fluctuations that are described by the Haken–Strobl–Reineker model. For short times, non-diffusiv...
Power-law of Aggregate-size Spectra in Natural Systems
aggregate-size fractal dimension river basins networks systems allometry
2013/4/28
Patterns of animate and inanimate systems show remarkable similarities in their aggregation. One similarity is the double-Pareto distribution of the aggregate-size of system components. Different mode...
Discriminating different classes of biological networks by analyzing the graphs spectra distribution
Discriminating different classes biological networks analyzing the graphs spectra distribution
2012/9/17
The brain's structural and functional systems, protein-protein interaction, and gene networks are examples of biological systems that share some features of com-plex networks, such as highly connected...
Models of Disease Spectra
Models Disease Spectra
2012/9/19
Case vs control comparisons have been the classical approach to the study of neurological diseases. However, most patients will not fall cleanly into either group.Instead, clinicians will typically n...
Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules
Pure Rotational Molecular Spectra Asymmetric Molecules Chemical Physics
2012/4/24
In this paper we demonstrate how asymmetric molecular rotational spectra may be introduced to students both "pictorially" and with simple formulae. It is shown that the interpretation of such spectra ...
Role of quantum nuclei and local fields in the x-ray absorption spectra of water and ice
Role of quantum nuclei local fields the x-ray absorption spectra of water and ice Chemical Physics
2012/4/19
We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quant...
Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid
Aqueous peroxynitric acid Raman Theoretical study
2012/4/5
Using density functional theory and polarizable continuum models, we study the Raman spectra of aqueous peroxynitric acid. The calculated results indicate that the solvent effect has significant influ...
A Bayesian Model of NMR Spectra for the Deconvolution and Quantification of Metabolites in Complex Biological Mixtures
metabolomics concentration estimation prior information multi component model block updates
2011/6/17
Nuclear Magnetic Resonance (NMR) spectra are widely used in metabolomics to
obtain profiles of metabolites dissolved in biofluids such as cell supernatants. Methods
for estimating metabolite concent...
a method for accurate determination of monoisotopic peaks in high-resolution mass spectra
monoisotopic high-resolution
2013/7/24
Determining the monoisotopic peak of a precursor is a first step in interpreting mass spectra, which is basic but non-trivial. The reason is that in the isolation window of a precursor, other peaks in...
Chemical Effects of CeLγ4 Emission Spectra for Ce Compounds
Chemical Effects CeLγ4 Emission Spectra Ce Compounds
2010/9/15
High-resolution CeLγ4 emission spectra of CeF3, Ce2S3, CeF4, and CeO2 have been measured using a multicrystal, multidetector spectrometer. The spectra exhibited substantial differences depending on th...
Reconstruction of signals with unknown spectra in information field theory with parameter uncertainty
Reconstruction signals unknown spectra information field theory parameter uncertainty
2010/3/11
The optimal reconstruction of cosmic metric perturbations and other signals requires knowledge
of their power spectra and other parameters. If these are not known a priori, they have to be
measured ...